Ligand-based virtual screening by novelty detection with self-organizing maps

Journal of Chemical Information and Modeling

Volumn 47, Issue 6, 2007, Pages 2044-2062

  Hristozov, Dimitar ^a   Oprea, Tudor I ^b   Gasteiger, Johann ^a,c  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b UNIVERSITY OF NEW MEXICO SCHOOL OF MEDICINE   (United States)

^c Molecular Networks GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOCORRELATION; CLASSIFICATION (OF INFORMATION); DATABASE SYSTEMS; LIGANDS; SELF ORGANIZING MAPS; STRUCTURE (COMPOSITION);

ATOMIC PHYSICOCHEMICAL PROPERTIES; DETECTION DEVICE; QUERY STRUCTURES; VIRTUAL SCREENING;

VIRTUAL REALITY;

ENZYME; ENZYME INHIBITOR; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; TIME;

ENZYME INHIBITORS; ENZYMES; LIGANDS; MOLECULAR STRUCTURE; TIME FACTORS;

EID: 37249061630     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700040r     Document Type: Article

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